#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwz s GLU 2 N 0.00 4.08 -1.14 0.03 0.41 0.72 -4.99 118.70 117.82 1nwz s GLU 2 Ca 0.00 0.60 -0.10 0.00 -0.41 0.00 0.00 54.97 55.07 1nwz s GLU 2 Cb 0.00 -3.22 0.26 0.00 -1.78 0.00 0.00 34.13 29.39 1nwz s GLU 2 CO 0.00 0.65 1.21 0.72 -0.49 0.00 0.00 175.26 177.35 1nwz n HIS 3 N 1.71 5.02 -3.74 1.61 8.25 -1.26 -4.56 115.22 122.25 1nwz n HIS 3 Ca -0.12 -3.72 -0.16 0.00 -0.26 0.00 0.00 57.72 53.46 1nwz n HIS 3 Cb 0.51 -1.77 -0.16 0.00 1.12 0.00 0.00 29.99 29.69 1nwz n HIS 3 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nwz s VAL 4 N -0.86 -0.08 0.10 1.59 1.01 -1.26 -5.15 120.40 115.75 1nwz s VAL 4 Ca 0.33 0.27 -0.15 0.00 0.00 0.00 0.00 61.98 62.44 1nwz s VAL 4 Cb -0.08 -0.11 -0.07 0.00 0.00 0.00 0.00 36.38 36.13 1nwz s VAL 4 CO -0.05 0.11 0.51 0.00 0.00 0.00 0.00 175.10 175.67 1nwz s ALA 5 N 1.39 3.62 0.17 5.51 0.00 -1.26 -4.63 121.76 126.56 1nwz s ALA 5 Ca -0.05 -0.14 -0.33 0.00 0.00 0.00 0.00 51.96 51.44 1nwz s ALA 5 Cb -0.13 -2.49 -0.14 0.00 0.00 0.00 0.00 23.12 20.36 1nwz s ALA 5 CO -0.03 0.46 1.49 0.34 0.00 0.00 0.00 175.76 178.02 1nwz n PHE 6 N 1.18 2.12 -0.83 0.00 7.35 -1.26 -2.04 117.46 123.98 1nwz n PHE 6 Ca -0.08 0.37 0.00 0.00 -0.76 0.00 0.00 57.45 56.98 1nwz n PHE 6 Cb 0.52 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.86 1nwz n PHE 6 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1nwz n GLY 7 N 2.92 0.71 3.72 7.13 0.00 -1.26 -5.01 105.19 113.40 1nwz n GLY 7 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1nwz n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nwz n SER 8 N 0.00 2.94 0.13 1.61 7.64 -0.87 -4.88 113.62 120.19 1nwz n SER 8 Ca 0.00 1.16 0.03 0.00 1.01 0.00 0.00 58.87 61.07 1nwz n SER 8 Cb 0.00 -1.53 0.40 0.00 -1.01 0.00 0.00 64.21 62.07 1nwz n SER 8 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1nwz h GLU 9 N 2.40 0.22 -0.47 1.43 4.57 -1.95 -2.66 114.58 118.12 1nwz h GLU 9 Ca -0.48 -0.05 -0.24 0.00 -1.18 0.00 0.00 59.36 57.41 1nwz h GLU 9 Cb 1.28 -0.03 -0.14 0.00 -0.16 0.00 0.00 28.75 29.69 1nwz h GLU 9 CO 0.62 0.36 0.05 -0.25 -1.18 0.00 0.00 179.01 178.60 1nwz n ASP 10 N -4.28 2.68 -0.09 1.04 10.43 -1.26 -4.74 116.55 120.33 1nwz n ASP 10 Ca -0.01 -3.76 0.09 0.00 2.57 0.00 0.00 54.79 53.68 1nwz n ASP 10 Cb 0.26 -0.67 0.45 0.00 1.84 0.00 0.00 41.12 42.99 1nwz n ASP 10 CO 0.00 0.00 0.00 -0.29 -1.07 0.00 0.00 177.20 175.84 1nwz h ILE 11 N 1.01 0.97 0.00 0.53 2.10 -1.85 -0.52 117.51 119.76 1nwz h ILE 11 Ca 0.30 -0.18 -0.05 0.00 1.08 0.00 0.00 64.86 66.00 1nwz h ILE 11 Cb 1.88 0.40 -0.01 0.00 -1.09 0.00 0.00 36.82 38.00 1nwz h ILE 11 CO 0.52 0.10 -0.25 1.05 -1.08 0.00 0.00 178.15 178.48 1nwz h GLU 12 N 0.53 0.00 -0.04 2.19 9.09 -1.86 -1.00 114.58 123.49 1nwz h GLU 12 Ca 0.26 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.54 1nwz h GLU 12 Cb 0.33 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.44 1nwz h GLU 12 CO -0.07 0.25 -0.47 -0.91 0.05 0.00 0.00 179.01 177.86 1nwz h ASN 13 N 0.00 0.49 -0.84 3.06 4.21 -1.49 -2.68 115.58 118.34 1nwz h ASN 13 Ca -0.00 -0.70 -0.02 0.00 1.21 0.00 0.00 56.30 56.78 1nwz h ASN 13 Cb 0.53 -0.15 -0.04 0.00 -1.12 0.00 0.00 38.32 37.55 1nwz h ASN 13 CO 0.03 1.12 0.44 0.74 -1.29 0.00 0.00 177.43 178.47 1nwz h THR 14 N -0.09 1.25 -0.01 2.81 2.02 -1.06 -2.71 112.91 115.12 1nwz h THR 14 Ca -0.05 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.48 1nwz h THR 14 Cb 1.16 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1nwz h THR 14 CO 0.10 0.29 -0.01 0.18 0.37 0.00 0.00 175.52 176.44 1nwz n LEU 15 N -4.36 1.41 -4.67 2.58 4.32 -0.41 -4.83 117.00 111.03 1nwz n LEU 15 Ca 0.08 -0.47 -0.46 0.00 -0.02 0.00 0.00 56.01 55.14 1nwz n LEU 15 Cb 0.11 -0.01 -0.04 0.00 -1.62 0.00 0.00 43.42 41.86 1nwz n LEU 15 CO 0.39 0.24 1.30 0.00 -1.22 0.00 0.00 177.39 178.10 1nwz n ALA 16 N 0.09 1.31 -1.40 -1.18 0.00 -1.01 -1.05 120.51 117.27 1nwz n ALA 16 Ca 0.19 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.88 1nwz n ALA 16 Cb 0.34 -2.41 -0.06 0.00 0.00 0.00 0.00 19.45 17.32 1nwz n ALA 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nwz n LYS 17 N 4.53 -1.53 -1.92 0.00 5.02 -1.26 -4.92 118.16 118.08 1nwz n LYS 17 Ca 0.19 0.97 -0.42 0.00 -2.02 0.00 0.00 58.31 57.03 1nwz n LYS 17 Cb 0.30 -5.33 -0.03 0.00 -0.02 0.00 0.00 35.03 29.95 1nwz n LYS 17 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1nwz s MET 18 N -3.11 4.21 0.89 1.97 1.75 -0.22 -4.98 119.30 119.80 1nwz s MET 18 Ca 0.00 2.38 -0.13 0.00 -1.25 0.00 0.00 55.69 56.69 1nwz s MET 18 Cb 0.00 -3.14 0.13 0.00 2.84 0.00 0.00 34.83 34.66 1nwz s MET 18 CO 0.00 -0.61 1.19 0.16 -0.65 0.00 0.00 175.02 175.12 1nwz s ASP 19 N 1.08 3.76 0.21 1.11 1.47 -1.26 -4.78 116.67 118.26 1nwz s ASP 19 Ca 0.70 0.72 -0.08 0.00 1.18 0.00 0.00 52.55 55.06 1nwz s ASP 19 Cb -0.44 -1.12 0.17 0.00 -0.34 0.00 0.00 42.92 41.18 1nwz s ASP 19 CO 0.32 -2.37 1.82 0.44 0.68 0.00 0.00 175.17 176.06 1nwz h ASP 20 N -1.38 1.03 -0.39 2.11 5.19 -1.99 -1.10 116.42 119.90 1nwz h ASP 20 Ca -0.47 -0.12 0.08 0.00 -0.62 0.00 0.00 57.03 55.91 1nwz h ASP 20 Cb 1.31 -0.26 -0.08 0.00 0.18 0.00 0.00 39.33 40.48 1nwz h ASP 20 CO 0.57 0.86 -0.13 1.23 -3.12 0.00 0.00 179.24 178.65 1nwz h GLY 21 N 1.13 0.21 1.03 2.75 0.00 -1.99 -1.76 103.07 104.43 1nwz h GLY 21 Ca 0.28 0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.72 1nwz h GLY 21 CO -0.04 -0.17 0.10 1.46 0.00 0.00 0.00 176.54 177.89 1nwz h GLN 22 N -0.05 0.97 -0.45 4.80 4.20 -1.82 -2.63 115.11 120.13 1nwz h GLN 22 Ca 0.19 -0.26 0.02 0.00 0.06 0.00 0.00 58.65 58.66 1nwz h GLN 22 Cb 0.34 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1nwz h GLN 22 CO -0.43 0.92 0.30 1.25 -0.67 0.00 0.00 178.83 180.20 1nwz h LEU 23 N 0.87 0.47 -0.75 1.46 5.85 -0.87 0.49 115.31 122.84 1nwz h LEU 23 Ca 0.18 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1nwz h LEU 23 Cb 0.41 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1nwz h LEU 23 CO 0.01 0.34 0.00 0.47 -0.34 0.00 0.00 178.44 178.92 1nwz n ASP 24 N -4.47 0.45 -0.30 1.25 8.00 -0.69 -2.18 116.55 118.61 1nwz n ASP 24 Ca 0.04 0.65 0.14 0.00 0.71 0.00 0.00 54.79 56.34 1nwz n ASP 24 Cb 0.10 -0.73 0.67 0.00 -0.02 0.00 0.00 41.12 41.13 1nwz n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nwz n GLY 25 N -0.63 -0.37 3.80 0.44 0.00 0.16 -4.66 105.19 103.94 1nwz n GLY 25 Ca 0.01 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 1nwz n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nwz s LEU 26 N -1.97 3.57 0.00 0.99 1.43 -0.92 -0.20 118.68 121.58 1nwz s LEU 26 Ca 0.41 1.87 0.25 0.00 -1.03 0.00 0.00 54.13 55.63 1nwz s LEU 26 Cb 0.21 -4.54 1.18 0.00 0.03 0.00 0.00 46.19 43.07 1nwz s LEU 26 CO 0.34 -1.13 1.83 0.00 0.23 0.00 0.00 176.35 177.62 1nwz n ALA 27 N -1.82 2.21 -2.19 4.21 0.00 -1.26 -4.72 120.51 116.95 1nwz n ALA 27 Ca 0.09 -0.10 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1nwz n ALA 27 Cb 0.53 -1.41 -0.10 0.00 0.00 0.00 0.00 19.45 18.47 1nwz n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1nwz s PHE 28 N -2.76 0.97 0.38 0.00 -0.12 -1.26 -5.05 117.98 110.14 1nwz s PHE 28 Ca 0.19 -1.01 -0.26 0.00 -0.05 0.00 0.00 56.93 55.79 1nwz s PHE 28 Cb 0.17 -0.56 -0.09 0.00 -0.63 0.00 0.00 43.02 41.90 1nwz s PHE 28 CO 0.41 -0.24 1.25 0.20 -0.05 0.00 0.00 175.22 176.79 1nwz s GLY 29 N -3.08 2.93 -0.06 1.99 0.00 0.60 -4.59 107.32 105.11 1nwz s GLY 29 Ca 0.17 1.13 -0.02 0.00 0.00 0.00 0.00 44.72 46.00 1nwz s GLY 29 CO -0.01 1.71 0.13 0.00 0.00 0.00 0.00 173.10 174.92 1nwz s ALA 30 N -1.28 -0.18 -0.04 3.20 0.00 -1.26 -0.98 121.76 121.21 1nwz s ALA 30 Ca 0.55 0.59 0.05 0.00 0.00 0.00 0.00 51.96 53.15 1nwz s ALA 30 Cb -0.36 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.26 1nwz s ALA 30 CO 0.46 -0.23 -0.18 0.42 0.00 0.00 0.00 175.76 176.23 1nwz s ILE 31 N 1.39 1.49 -0.16 0.00 1.01 0.16 -1.34 121.20 123.75 1nwz s ILE 31 Ca -0.07 -0.75 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 1nwz s ILE 31 Cb -0.12 -1.27 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 1nwz s ILE 31 CO -0.05 0.43 -0.05 -1.58 0.00 0.00 0.00 174.94 173.68 1nwz s GLN 32 N 0.00 3.59 0.08 2.79 0.74 -0.38 -0.39 119.66 126.10 1nwz s GLN 32 Ca -0.03 -0.56 0.08 0.00 0.05 0.00 0.00 55.36 54.90 1nwz s GLN 32 Cb -0.12 -2.88 -0.04 0.00 1.10 0.00 0.00 33.01 31.08 1nwz s GLN 32 CO 0.02 0.19 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.27 1nwz s LEU 33 N 0.47 2.68 0.99 3.68 1.43 0.85 0.02 118.68 128.80 1nwz s LEU 33 Ca -0.05 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.40 1nwz s LEU 33 Cb -0.15 -1.55 0.22 0.00 0.03 0.00 0.00 46.19 44.74 1nwz s LEU 33 CO 0.03 0.21 1.35 1.51 0.23 0.00 0.00 176.35 179.68 1nwz s ASP 34 N -1.84 2.87 0.36 2.29 1.47 -0.24 -0.90 116.67 120.68 1nwz s ASP 34 Ca 0.17 0.16 0.27 0.00 1.18 0.00 0.00 52.55 54.32 1nwz s ASP 34 Cb -0.11 -0.12 1.15 0.00 -0.34 0.00 0.00 42.92 43.51 1nwz s ASP 34 CO 0.08 -2.88 1.80 1.23 0.68 0.00 0.00 175.17 176.09 1nwz h GLY 35 N -1.74 0.00 1.31 2.12 0.00 -1.91 -0.39 103.07 102.47 1nwz h GLY 35 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1nwz h GLY 35 CO 0.33 0.00 -0.36 1.22 0.00 0.00 0.00 176.54 177.72 1nwz n ASP 36 N -2.50 0.39 0.00 0.19 10.43 -1.26 -4.94 116.55 118.86 1nwz n ASP 36 Ca 0.01 0.01 0.00 0.00 2.57 0.00 0.00 54.79 57.39 1nwz n ASP 36 Cb 0.23 0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.20 1nwz n ASP 36 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1nwz n GLY 37 N 1.48 0.87 3.76 0.44 0.00 -0.16 -4.90 105.19 106.68 1nwz n GLY 37 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 1nwz n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nwz s ASN 38 N -2.01 7.28 -0.20 1.61 0.01 -1.26 -0.66 114.94 119.72 1nwz s ASN 38 Ca 0.00 2.25 -0.28 0.00 -0.71 0.00 0.00 52.86 54.12 1nwz s ASN 38 Cb 0.00 -2.63 0.00 0.00 0.41 0.00 0.00 41.25 39.03 1nwz s ASN 38 CO 0.00 -0.13 0.98 -0.63 -1.51 0.00 0.00 177.10 175.81 1nwz s ILE 39 N -1.17 4.75 -0.22 0.60 1.01 -0.05 -1.08 121.20 125.04 1nwz s ILE 39 Ca 0.44 1.93 0.05 0.00 0.00 0.00 0.00 60.65 63.07 1nwz s ILE 39 Cb -0.32 -4.27 -0.20 0.00 0.01 0.00 0.00 42.46 37.68 1nwz s ILE 39 CO 0.40 -0.10 -0.04 0.18 0.00 0.00 0.00 174.94 175.38 1nwz n LEU 40 N 5.85 2.19 -3.93 2.97 4.77 0.10 -0.47 117.00 128.48 1nwz n LEU 40 Ca 0.10 -0.04 -0.10 0.00 -0.03 0.00 0.00 56.01 55.94 1nwz n LEU 40 Cb 0.47 -0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 40.88 1nwz n LEU 40 CO 0.51 0.81 -0.25 -1.10 -1.33 0.00 0.00 177.39 176.03 1nwz s GLN 41 N -2.52 0.47 -0.29 3.23 -0.21 -1.07 -4.91 119.66 114.36 1nwz s GLN 41 Ca -0.26 -0.60 -0.06 0.00 0.02 0.00 0.00 55.36 54.45 1nwz s GLN 41 Cb 0.08 0.19 0.15 0.00 1.00 0.00 0.00 33.01 34.43 1nwz s GLN 41 CO 0.68 -0.11 0.62 -0.47 -2.12 0.00 0.00 175.29 173.89 1nwz s TYR 42 N -1.89 -1.42 0.60 0.91 6.14 -1.26 -1.25 117.35 119.18 1nwz s TYR 42 Ca -0.11 2.03 0.03 0.00 0.64 0.00 0.00 57.07 59.65 1nwz s TYR 42 Cb -0.06 0.68 0.07 0.00 0.42 0.00 0.00 41.96 43.07 1nwz s TYR 42 CO -0.02 -0.75 0.83 0.54 0.64 0.00 0.00 175.55 176.79 1nwz s ASN 43 N 2.86 4.98 0.19 4.32 4.22 -0.45 -4.75 114.94 126.30 1nwz s ASN 43 Ca 0.05 -0.32 -0.09 0.00 -2.14 0.00 0.00 52.86 50.36 1nwz s ASN 43 Cb -0.13 -0.36 0.09 0.00 1.28 0.00 0.00 41.25 42.12 1nwz s ASN 43 CO -0.19 -1.37 1.68 0.00 -2.04 0.00 0.00 177.10 175.17 1nwz h ALA 44 N -0.05 0.86 -0.74 3.54 0.00 -1.83 -2.01 119.26 119.03 1nwz h ALA 44 Ca -0.38 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.24 1nwz h ALA 44 Cb 1.28 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1nwz h ALA 44 CO 0.45 0.63 0.39 0.00 0.00 0.00 0.00 179.25 180.72 1nwz h ALA 45 N 1.04 1.28 -0.45 0.00 0.00 -1.83 -0.35 119.26 118.96 1nwz h ALA 45 Ca 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 1nwz h ALA 45 Cb 0.45 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1nwz h ALA 45 CO 0.01 0.57 0.15 1.49 0.00 0.00 0.00 179.25 181.48 1nwz h GLU 46 N 1.04 0.68 -0.49 0.00 4.57 -1.70 -1.52 114.58 117.16 1nwz h GLU 46 Ca 0.26 -0.14 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 1nwz h GLU 46 Cb 0.06 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.52 1nwz h GLU 46 CO -0.04 0.65 0.33 0.78 -1.18 0.00 0.00 179.01 179.54 1nwz h GLY 47 N 0.58 0.66 1.29 1.92 0.00 -0.66 -0.53 103.07 106.33 1nwz h GLY 47 Ca 0.15 -0.24 -0.13 0.00 0.00 0.00 0.00 47.33 47.11 1nwz h GLY 47 CO -0.01 0.22 -0.27 -1.80 0.00 0.00 0.00 176.54 174.69 1nwz h ASP 48 N 0.61 0.84 -0.54 0.19 1.82 -0.65 0.22 116.42 118.91 1nwz h ASP 48 Ca 0.19 -0.32 -0.10 0.00 -0.39 0.00 0.00 57.03 56.41 1nwz h ASP 48 Cb 0.01 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 39.77 1nwz h ASP 48 CO -0.05 1.05 -0.05 0.40 -1.61 0.00 0.00 179.24 178.99 1nwz h ILE 49 N 0.69 1.27 0.00 2.25 2.04 -0.48 -3.36 117.51 119.92 1nwz h ILE 49 Ca 0.09 -1.18 0.00 0.00 1.00 0.00 0.00 64.86 64.76 1nwz h ILE 49 Cb 0.80 0.93 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1nwz h ILE 49 CO 0.07 0.42 -1.17 0.35 0.00 0.00 0.00 178.15 177.81 1nwz n THR 50 N -4.22 0.00 0.00 -0.27 -2.24 -0.28 -5.00 114.28 102.27 1nwz n THR 50 Ca 0.02 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1nwz n THR 50 Cb 0.36 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 1nwz n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nwz n GLY 51 N 1.57 2.15 3.79 3.38 0.00 0.76 -4.99 105.19 111.85 1nwz n GLY 51 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1nwz n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nwz s ARG 52 N -0.31 3.00 -0.27 1.61 3.00 -1.23 -4.98 118.95 119.76 1nwz s ARG 52 Ca 0.00 1.29 -0.11 0.00 0.00 0.00 0.00 55.73 56.91 1nwz s ARG 52 Cb 0.00 -1.98 -0.05 0.00 0.00 0.00 0.00 34.95 32.92 1nwz s ARG 52 CO 0.00 -1.08 0.18 0.34 0.00 0.00 0.00 175.30 174.74 1nwz s ASP 53 N -2.74 5.94 0.20 0.23 3.68 -1.26 -4.36 116.67 118.36 1nwz s ASP 53 Ca 0.65 -0.02 -0.12 0.00 2.13 0.00 0.00 52.55 55.19 1nwz s ASP 53 Cb -0.18 -2.10 0.23 0.00 -1.45 0.00 0.00 42.92 39.42 1nwz s ASP 53 CO 0.41 -0.04 1.70 -0.65 0.13 0.00 0.00 175.17 176.71 1nwz h PRO 54 N 8.30 0.18 0.00 4.34 0.11 -1.88 -0.09 132.00 142.96 1nwz h PRO 54 Ca -0.35 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1nwz h PRO 54 Cb 1.19 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1nwz h PRO 54 CO 0.56 0.12 0.00 1.63 -0.21 0.00 0.00 178.00 180.10 1nwz n LYS 55 N -5.17 0.19 0.04 1.05 5.02 -1.26 -1.71 118.16 116.32 1nwz n LYS 55 Ca 0.07 0.44 0.12 0.00 -2.02 0.00 0.00 58.31 56.92 1nwz n LYS 55 Cb 0.29 -1.88 0.25 0.00 -0.02 0.00 0.00 35.03 33.67 1nwz n LYS 55 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1nwz n GLN 56 N -2.24 0.18 -0.01 1.97 6.02 -0.07 -3.98 117.38 119.25 1nwz n GLN 56 Ca 0.02 0.06 0.07 0.00 -0.01 0.00 0.00 57.00 57.14 1nwz n GLN 56 Cb 0.22 -1.63 -0.12 0.00 1.02 0.00 0.00 30.24 29.73 1nwz n GLN 56 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1nwz n VAL 57 N -1.90 0.04 -1.76 5.09 0.24 -0.70 -4.85 118.33 114.49 1nwz n VAL 57 Ca 0.04 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.34 61.56 1nwz n VAL 57 Cb 0.40 0.12 -0.02 0.00 -1.47 0.00 0.00 33.84 32.86 1nwz n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1nwz s ILE 58 N -3.04 2.09 0.00 1.34 1.01 -0.87 -1.10 121.20 120.64 1nwz s ILE 58 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.66 1nwz s ILE 58 Cb 0.10 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1nwz s ILE 58 CO 0.64 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.19 1nwz n GLY 59 N 3.32 2.03 3.90 6.18 0.00 0.38 -4.98 105.19 116.02 1nwz n GLY 59 Ca 0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 1nwz n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nwz s LYS 60 N -0.75 3.22 -0.19 1.61 1.02 -0.26 -4.70 119.74 119.70 1nwz s LYS 60 Ca 0.00 0.23 -0.19 0.00 0.02 0.00 0.00 55.97 56.02 1nwz s LYS 60 Cb 0.00 -2.25 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 1nwz s LYS 60 CO 0.00 -0.55 0.56 1.21 -0.92 0.00 0.00 175.35 175.65 1nwz s ASN 61 N -4.23 6.63 0.20 2.83 3.84 -1.26 -0.87 114.94 122.08 1nwz s ASN 61 Ca 0.52 0.76 -0.11 0.00 0.21 0.00 0.00 52.86 54.24 1nwz s ASN 61 Cb -0.11 -2.32 0.13 0.00 -0.55 0.00 0.00 41.25 38.41 1nwz s ASN 61 CO 0.47 -0.19 1.83 0.15 -2.79 0.00 0.00 177.10 176.57 1nwz h PHE 62 N 7.38 0.92 0.08 0.43 3.57 -1.24 -0.71 116.94 127.37 1nwz h PHE 62 Ca -0.34 -0.00 -0.29 0.00 3.53 0.00 0.00 57.97 60.87 1nwz h PHE 62 Cb 1.15 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 1nwz h PHE 62 CO 0.70 0.63 -1.46 0.74 -2.23 0.00 0.00 178.31 176.68 1nwz h PHE 63 N 0.95 0.30 0.08 0.41 -1.00 -1.83 0.20 116.94 116.05 1nwz h PHE 63 Ca 0.25 -0.22 -0.14 0.00 2.81 0.00 0.00 57.97 60.67 1nwz h PHE 63 Cb -0.02 -0.01 0.01 0.00 3.61 0.00 0.00 35.95 39.54 1nwz h PHE 63 CO -0.01 1.26 -0.59 -0.22 -1.61 0.00 0.00 178.31 177.14 1nwz h LYS 64 N 0.05 0.25 0.00 1.51 3.64 -1.87 -3.37 116.57 116.78 1nwz h LYS 64 Ca -0.21 -0.38 -0.11 0.00 -1.27 0.00 0.00 60.65 58.68 1nwz h LYS 64 Cb 1.97 0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 33.91 1nwz h LYS 64 CO 0.14 1.15 -1.13 -0.25 -2.27 0.00 0.00 179.45 177.09 1nwz n ASP 65 N -4.26 1.40 0.14 4.20 10.43 -0.33 -4.73 116.55 123.40 1nwz n ASP 65 Ca -0.12 0.23 -0.23 0.00 2.57 0.00 0.00 54.79 57.24 1nwz n ASP 65 Cb 0.71 -0.53 -0.15 0.00 1.84 0.00 0.00 41.12 42.98 1nwz n ASP 65 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 1nwz h VAL 66 N -0.58 1.32 -2.09 2.53 2.07 -1.32 -3.40 116.25 114.78 1nwz h VAL 66 Ca -0.17 -2.78 -0.52 0.00 0.82 0.00 0.00 66.70 64.05 1nwz h VAL 66 Cb 0.90 3.02 -0.41 0.00 -1.52 0.00 0.00 31.29 33.28 1nwz h VAL 66 CO -0.10 0.83 -1.02 0.00 0.02 0.00 0.00 177.57 177.30 1nwz n ALA 67 N -2.68 2.86 0.30 1.67 0.00 0.68 -4.92 120.51 118.42 1nwz n ALA 67 Ca -0.15 -3.82 0.18 0.00 0.00 0.00 0.00 53.44 49.65 1nwz n ALA 67 Cb 1.09 -0.86 0.97 0.00 0.00 0.00 0.00 19.45 20.65 1nwz n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1nwz h PRO 68 N 3.06 0.00 0.00 0.00 0.13 -1.76 0.22 132.00 133.65 1nwz h PRO 68 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1nwz h PRO 68 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1nwz h PRO 68 CO 0.60 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 1nwz n THR 70 N -2.48 0.00 -2.65 0.00 -2.24 0.06 -4.68 114.28 102.29 1nwz n THR 70 Ca 0.00 -0.20 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 1nwz n THR 70 Cb 0.18 0.69 -0.01 0.00 -2.10 0.00 0.00 70.33 69.09 1nwz n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1nwz s ASP 71 N -2.38 6.75 0.15 3.42 2.15 -0.38 -0.83 116.67 125.56 1nwz s ASP 71 Ca 0.25 -2.19 -0.23 0.00 0.43 0.00 0.00 52.55 50.81 1nwz s ASP 71 Cb 0.19 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 40.34 1nwz s ASP 71 CO 0.49 -1.21 0.64 -0.94 -0.17 0.00 0.00 175.17 173.98 1nwz s SER 72 N 4.23 -0.53 0.52 -0.34 1.04 -1.26 -4.95 113.70 112.41 1nwz s SER 72 Ca 0.48 -0.04 0.18 0.00 0.48 0.00 0.00 55.95 57.05 1nwz s SER 72 Cb 0.01 0.59 1.29 0.00 0.10 0.00 0.00 66.02 68.01 1nwz s SER 72 CO 0.00 -0.96 2.11 -0.65 0.98 0.00 0.00 173.24 174.72 1nwz h PRO 73 N 2.00 0.02 0.00 4.02 0.11 -1.93 0.14 132.00 136.35 1nwz h PRO 73 Ca -0.32 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1nwz h PRO 73 Cb 1.30 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1nwz h PRO 73 CO 0.36 0.01 0.00 0.39 -0.21 0.00 0.00 178.00 178.55 1nwz n GLU 74 N -4.50 0.16 0.00 1.05 4.71 -1.26 -2.24 120.64 118.57 1nwz n GLU 74 Ca 0.00 0.26 0.00 0.00 -0.01 0.00 0.00 57.16 57.41 1nwz n GLU 74 Cb 0.21 -1.74 0.00 0.00 -1.01 0.00 0.00 31.44 28.90 1nwz n GLU 74 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1nwz n PHE 75 N -2.03 -0.04 0.23 -0.32 -0.00 -1.00 -4.60 117.46 109.70 1nwz n PHE 75 Ca 0.04 0.01 0.07 0.00 -0.00 0.00 0.00 57.45 57.57 1nwz n PHE 75 Cb 0.31 0.34 0.56 0.00 -0.00 0.00 0.00 39.48 40.68 1nwz n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1nwz h TYR 76 N 0.00 0.00 -0.46 -5.13 -0.00 0.41 -0.65 116.97 111.14 1nwz h TYR 76 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.73 58.66 1nwz h TYR 76 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 36.73 36.71 1nwz h TYR 76 CO 0.00 0.16 0.00 0.78 -0.00 0.00 0.00 178.16 179.10 1nwz h GLY 77 N 0.53 0.88 2.00 1.82 0.00 -0.55 -1.17 103.07 106.57 1nwz h GLY 77 Ca -0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.61 1nwz h GLY 77 CO 0.02 0.59 -0.35 0.50 0.00 0.00 0.00 176.54 177.30 1nwz h LYS 78 N 0.66 0.00 0.15 4.80 1.57 -0.81 -3.01 116.57 119.93 1nwz h LYS 78 Ca 0.13 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1nwz h LYS 78 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1nwz h LYS 78 CO 0.02 0.35 -0.07 0.35 -0.57 0.00 0.00 179.45 179.54 1nwz h PHE 79 N 0.00 -0.18 -0.11 -1.35 3.57 -0.83 -2.11 116.94 115.93 1nwz h PHE 79 Ca -0.00 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1nwz h PHE 79 Cb 0.77 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.56 1nwz h PHE 79 CO 0.00 0.27 -0.06 0.36 -2.23 0.00 0.00 178.31 176.65 1nwz n LYS 80 N -4.91 -0.05 -0.04 1.11 2.85 -0.47 -0.91 118.16 115.74 1nwz n LYS 80 Ca -0.08 0.92 -0.03 0.00 -1.05 0.00 0.00 58.31 58.07 1nwz n LYS 80 Cb 0.27 -1.38 -0.03 0.00 -0.65 0.00 0.00 35.03 33.24 1nwz n LYS 80 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1nwz h GLU 81 N 0.00 -0.09 -1.02 -1.58 4.22 -1.63 0.96 114.58 115.45 1nwz h GLU 81 Ca 0.02 0.01 0.24 0.00 0.08 0.00 0.00 59.36 59.71 1nwz h GLU 81 Cb 0.04 0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.21 1nwz h GLU 81 CO -0.10 -0.06 0.63 0.78 -2.18 0.00 0.00 179.01 178.08 1nwz h GLY 82 N -0.09 1.58 0.58 1.92 0.00 -1.01 0.14 103.07 106.20 1nwz h GLY 82 Ca 0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 1nwz h GLY 82 CO -0.16 -0.16 -0.19 -2.08 0.00 0.00 0.00 176.54 173.94 1nwz h VAL 83 N 0.53 0.44 -0.51 4.60 2.07 0.79 -1.99 116.25 122.18 1nwz h VAL 83 Ca 0.61 -0.61 0.07 0.00 0.82 0.00 0.00 66.70 67.58 1nwz h VAL 83 Cb 1.28 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.68 1nwz h VAL 83 CO -0.38 0.08 0.34 0.00 0.02 0.00 0.00 177.57 177.64 1nwz h ALA 84 N -0.63 1.94 0.00 1.67 0.00 0.16 0.18 119.26 122.58 1nwz h ALA 84 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nwz h ALA 84 Cb 0.55 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1nwz h ALA 84 CO 0.09 -0.03 0.00 0.77 0.00 0.00 0.00 179.25 180.08 1nwz h SER 85 N 0.42 0.00 0.00 0.00 0.02 -0.76 -3.47 113.55 109.77 1nwz h SER 85 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 1nwz h SER 85 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1nwz h SER 85 CO -0.06 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.24 1nwz n GLY 86 N 1.11 0.78 2.70 -3.77 0.00 0.05 -4.95 105.19 101.11 1nwz n GLY 86 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1nwz n GLY 86 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nwz s ASN 87 N -2.70 3.88 -0.13 1.61 0.01 -0.83 -5.00 114.94 111.77 1nwz s ASN 87 Ca 0.00 -1.81 0.02 0.00 -0.71 0.00 0.00 52.86 50.36 1nwz s ASN 87 Cb 0.00 -0.84 0.01 0.00 0.41 0.00 0.00 41.25 40.84 1nwz s ASN 87 CO 0.00 -0.39 -0.21 -0.22 -1.51 0.00 0.00 177.10 174.77 1nwz s LEU 88 N 1.40 2.05 -0.34 0.60 2.96 -1.22 -4.56 118.68 119.58 1nwz s LEU 88 Ca 0.12 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 1nwz s LEU 88 Cb -0.19 -1.39 0.19 0.00 0.50 0.00 0.00 46.19 45.30 1nwz s LEU 88 CO -0.20 0.07 0.77 0.21 -1.32 0.00 0.00 176.35 175.88 1nwz s ASN 89 N 0.83 -1.15 -0.02 3.68 2.47 -1.23 -1.59 114.94 117.93 1nwz s ASN 89 Ca -0.07 -0.23 -0.07 0.00 0.42 0.00 0.00 52.86 52.90 1nwz s ASN 89 Cb -0.15 1.58 0.01 0.00 -1.45 0.00 0.00 41.25 41.23 1nwz s ASN 89 CO -0.02 -0.17 0.15 0.28 -3.72 0.00 0.00 177.10 173.63 1nwz s THR 90 N 2.36 0.06 -0.05 -5.21 -1.32 -0.25 -5.00 115.64 106.22 1nwz s THR 90 Ca 0.16 -0.47 0.02 0.00 -1.21 0.00 0.00 61.69 60.19 1nwz s THR 90 Cb -0.04 -0.38 0.01 0.00 -1.51 0.00 0.00 72.50 70.58 1nwz s THR 90 CO -0.17 -0.26 -0.08 -0.04 -2.21 0.00 0.00 174.62 171.86 1nwz s MET 91 N -0.92 1.20 0.00 7.08 -1.94 -1.26 -0.60 119.30 122.85 1nwz s MET 91 Ca -0.10 -0.27 -0.26 0.00 -1.71 0.00 0.00 55.69 53.35 1nwz s MET 91 Cb -0.06 -1.07 0.06 0.00 2.01 0.00 0.00 34.83 35.78 1nwz s MET 91 CO 0.01 0.00 0.59 -0.59 -0.01 0.00 0.00 175.02 175.02 1nwz s PHE 92 N 0.66 -0.53 0.44 -0.03 -0.12 -0.09 -4.98 117.98 113.33 1nwz s PHE 92 Ca -0.11 0.78 -0.10 0.00 -0.05 0.00 0.00 56.93 57.45 1nwz s PHE 92 Cb -0.14 0.37 -0.06 0.00 -0.63 0.00 0.00 43.02 42.56 1nwz s PHE 92 CO 0.02 -0.62 0.80 -1.21 -0.05 0.00 0.00 175.22 174.16 1nwz s GLU 93 N -1.79 3.73 0.16 1.99 2.02 -1.26 -0.32 118.70 123.23 1nwz s GLU 93 Ca -0.09 0.46 -0.21 0.00 0.02 0.00 0.00 54.97 55.15 1nwz s GLU 93 Cb -0.01 -2.36 0.06 0.00 0.10 0.00 0.00 34.13 31.92 1nwz s GLU 93 CO 0.04 -0.11 0.57 -0.47 0.02 0.00 0.00 175.26 175.31 1nwz s TYR 94 N -2.49 -0.44 -0.16 1.61 6.14 -0.28 -4.91 117.35 116.82 1nwz s TYR 94 Ca 0.51 0.19 0.01 0.00 0.64 0.00 0.00 57.07 58.42 1nwz s TYR 94 Cb -0.10 0.51 0.00 0.00 0.42 0.00 0.00 41.96 42.79 1nwz s TYR 94 CO 0.35 -0.85 -0.17 0.99 0.64 0.00 0.00 175.55 176.51 1nwz s THR 95 N -3.78 2.51 -0.22 4.34 2.01 -1.26 -0.53 115.64 118.72 1nwz s THR 95 Ca 0.02 -0.82 -0.16 0.00 0.31 0.00 0.00 61.69 61.04 1nwz s THR 95 Cb -0.01 -2.05 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1nwz s THR 95 CO -0.11 0.52 0.42 -0.36 -0.69 0.00 0.00 174.62 174.39 1nwz s PHE 96 N 0.92 3.35 0.00 4.92 2.99 -0.12 -4.89 117.98 125.14 1nwz s PHE 96 Ca -0.04 0.60 0.00 0.00 0.00 0.00 0.00 56.93 57.50 1nwz s PHE 96 Cb -0.15 -2.56 0.00 0.00 0.00 0.00 0.00 43.02 40.31 1nwz s PHE 96 CO -0.02 -0.07 0.67 -0.40 -0.00 0.00 0.00 175.22 175.39 1nwz n ASP 97 N 4.71 0.00 -4.58 1.36 5.68 -1.26 -1.03 116.55 121.43 1nwz n ASP 97 Ca -0.08 -1.43 -0.42 0.00 -0.50 0.00 0.00 54.79 52.37 1nwz n ASP 97 Cb 0.51 -0.09 -0.06 0.00 -1.14 0.00 0.00 41.12 40.34 1nwz n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1nwz s TYR 98 N 0.00 3.14 -1.47 2.11 6.14 -1.26 -4.13 117.35 121.87 1nwz s TYR 98 Ca 0.00 0.42 -0.08 0.00 0.64 0.00 0.00 57.07 58.05 1nwz s TYR 98 Cb 0.00 -3.24 0.06 0.00 0.42 0.00 0.00 41.96 39.20 1nwz s TYR 98 CO 0.00 -0.67 0.77 1.04 0.64 0.00 0.00 175.55 177.33 1nwz n GLN 99 N 6.18 -4.59 -3.47 4.97 1.13 -1.26 -4.93 117.38 115.42 1nwz n GLN 99 Ca 0.00 0.53 -0.12 0.00 -1.94 0.00 0.00 57.00 55.48 1nwz n GLN 99 Cb 0.48 -5.16 -0.03 0.00 0.11 0.00 0.00 30.24 25.65 1nwz n GLN 99 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nwz s MET 100 N -6.48 1.08 0.21 -1.09 0.23 -1.26 -5.12 119.30 106.87 1nwz s MET 100 Ca 0.37 -0.30 -0.31 0.00 -1.03 0.00 0.00 55.69 54.42 1nwz s MET 100 Cb -0.19 0.50 -0.11 0.00 -1.53 0.00 0.00 34.83 33.50 1nwz s MET 100 CO 0.85 -0.45 1.64 0.99 -2.03 0.00 0.00 175.02 176.02 1nwz s THR 101 N -3.11 2.25 0.19 3.16 2.01 -1.26 -4.73 115.64 114.15 1nwz s THR 101 Ca 0.01 0.19 -0.33 0.00 0.31 0.00 0.00 61.69 61.86 1nwz s THR 101 Cb -0.01 -3.12 -0.14 0.00 0.01 0.00 0.00 72.50 69.25 1nwz s THR 101 CO -0.08 0.02 1.53 -2.65 -0.69 0.00 0.00 174.62 172.74 1nwz n PRO 102 N 3.56 2.13 -3.84 4.92 -0.02 -1.26 -4.77 135.00 135.72 1nwz n PRO 102 Ca 0.13 0.76 -0.23 0.00 -2.02 0.00 0.00 63.50 62.14 1nwz n PRO 102 Cb 0.37 -2.50 -0.17 0.00 -0.02 0.00 0.00 33.50 31.17 1nwz n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1nwz s THR 103 N 0.60 0.51 0.04 3.45 2.01 -0.20 -4.96 115.64 117.08 1nwz s THR 103 Ca 0.75 0.02 -0.24 0.00 0.31 0.00 0.00 61.69 62.54 1nwz s THR 103 Cb -0.67 -0.63 -0.06 0.00 0.01 0.00 0.00 72.50 71.16 1nwz s THR 103 CO 0.42 0.28 0.72 -0.75 -0.69 0.00 0.00 174.62 174.60 1nwz s LYS 104 N 1.81 4.45 0.17 4.92 2.20 -1.26 -0.95 119.74 131.08 1nwz s LYS 104 Ca 0.03 0.99 0.01 0.00 -0.36 0.00 0.00 55.97 56.64 1nwz s LYS 104 Cb -0.13 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 1nwz s LYS 104 CO -0.05 0.32 0.02 0.14 -0.36 0.00 0.00 175.35 175.42 1nwz s VAL 105 N -0.14 0.51 -0.16 4.02 -7.23 0.31 -2.72 120.40 114.99 1nwz s VAL 105 Ca 0.37 -1.96 -0.06 0.00 -1.81 0.00 0.00 61.98 58.51 1nwz s VAL 105 Cb -0.20 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 1nwz s VAL 105 CO 0.22 -0.44 0.04 -0.75 -0.31 0.00 0.00 175.10 173.85 1nwz s LYS 106 N -3.96 3.78 -0.08 4.82 2.20 0.37 -1.12 119.74 125.74 1nwz s LYS 106 Ca 0.25 -0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.49 1nwz s LYS 106 Cb 0.07 -3.10 -0.02 0.00 -1.51 0.00 0.00 37.83 33.26 1nwz s LYS 106 CO 0.04 0.34 -0.12 0.08 -0.36 0.00 0.00 175.35 175.33 1nwz s VAL 107 N 0.17 3.25 -0.20 4.02 1.01 0.56 -1.32 120.40 127.89 1nwz s VAL 107 Ca 0.03 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1nwz s VAL 107 Cb -0.13 -2.32 0.05 0.00 0.00 0.00 0.00 36.38 33.98 1nwz s VAL 107 CO 0.01 0.57 -0.08 -2.28 0.00 0.00 0.00 175.10 173.32 1nwz s HIS 108 N -0.38 2.21 -0.15 5.22 2.46 0.39 -0.91 115.29 124.13 1nwz s HIS 108 Ca 0.04 -1.49 -0.07 0.00 0.47 0.00 0.00 55.06 54.01 1nwz s HIS 108 Cb -0.12 -1.54 -0.04 0.00 -0.13 0.00 0.00 32.58 30.75 1nwz s HIS 108 CO 0.02 -0.72 0.08 -1.64 -2.47 0.00 0.00 174.74 170.01 1nwz s MET 109 N 1.46 3.72 -0.14 2.88 -1.94 0.23 -0.36 119.30 125.15 1nwz s MET 109 Ca -0.02 -0.29 -0.10 0.00 -1.71 0.00 0.00 55.69 53.57 1nwz s MET 109 Cb -0.17 -3.16 0.04 0.00 2.01 0.00 0.00 34.83 33.56 1nwz s MET 109 CO -0.08 0.46 0.34 0.21 -0.01 0.00 0.00 175.02 175.95 1nwz s LYS 110 N -0.15 0.35 0.34 2.03 2.20 -0.32 -1.09 119.74 123.11 1nwz s LYS 110 Ca 0.08 0.60 -0.29 0.00 -0.36 0.00 0.00 55.97 56.00 1nwz s LYS 110 Cb -0.12 0.05 -0.11 0.00 -1.51 0.00 0.00 37.83 36.14 1nwz s LYS 110 CO 0.01 -0.11 1.46 0.21 -0.36 0.00 0.00 175.35 176.55 1nwz s LYS 111 N 0.84 4.19 0.80 4.03 2.20 -0.62 -0.49 119.74 130.68 1nwz s LYS 111 Ca -0.05 2.46 -0.10 0.00 -0.36 0.00 0.00 55.97 57.91 1nwz s LYS 111 Cb -0.06 -3.01 0.07 0.00 -1.51 0.00 0.00 37.83 33.32 1nwz s LYS 111 CO -0.06 -0.46 1.10 0.00 -0.36 0.00 0.00 175.35 175.57 1nwz s ALA 112 N -0.85 2.09 0.06 3.13 0.00 0.32 -4.81 121.76 121.71 1nwz s ALA 112 Ca 0.54 0.30 -0.28 0.00 0.00 0.00 0.00 51.96 52.52 1nwz s ALA 112 Cb -0.45 -3.30 -0.17 0.00 0.00 0.00 0.00 23.12 19.20 1nwz s ALA 112 CO 0.56 -1.96 1.59 1.25 0.00 0.00 0.00 175.76 177.21 1nwz h LEU 113 N -1.27 -0.40 -9.83 0.00 5.85 -1.87 -3.45 115.31 104.33 1nwz h LEU 113 Ca -0.44 -0.03 -0.54 0.00 0.84 0.00 0.00 57.88 57.71 1nwz h LEU 113 Cb 1.24 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.30 1nwz h LEU 113 CO 0.50 -0.23 -0.53 -0.94 -0.34 0.00 0.00 178.44 176.90 1nwz s SER 114 N -4.83 4.69 0.56 1.25 1.04 -1.26 -5.00 113.70 110.15 1nwz s SER 114 Ca -0.15 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.49 1nwz s SER 114 Cb 0.04 -0.72 0.00 0.00 0.10 0.00 0.00 66.02 65.45 1nwz s SER 114 CO 0.62 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.13 1nwz n GLY 115 N -1.17 1.02 2.32 7.32 0.00 -1.26 -4.36 105.19 109.05 1nwz n GLY 115 Ca -0.03 -0.74 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 1nwz n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nwz n ASP 116 N 0.33 -0.47 -4.12 1.61 4.64 -1.26 -5.00 116.55 112.27 1nwz n ASP 116 Ca 0.00 -2.72 -0.08 0.00 -1.38 0.00 0.00 54.79 50.60 1nwz n ASP 116 Cb 0.00 -0.22 -0.10 0.00 -1.04 0.00 0.00 41.12 39.76 1nwz n ASP 116 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 1nwz s SER 117 N -0.97 0.60 -0.01 1.67 0.01 -1.26 -4.04 113.70 109.70 1nwz s SER 117 Ca 0.34 -1.05 0.02 0.00 1.31 0.00 0.00 55.95 56.57 1nwz s SER 117 Cb 0.15 0.20 -0.00 0.00 0.21 0.00 0.00 66.02 66.58 1nwz s SER 117 CO -0.14 -0.60 -0.05 -0.31 0.41 0.00 0.00 173.24 172.54 1nwz s TYR 118 N -3.88 0.53 -0.00 2.43 2.02 -0.08 -0.52 117.35 117.85 1nwz s TYR 118 Ca 0.12 -0.10 -0.09 0.00 -0.37 0.00 0.00 57.07 56.63 1nwz s TYR 118 Cb 0.07 -0.37 -0.05 0.00 -0.40 0.00 0.00 41.96 41.21 1nwz s TYR 118 CO -0.06 -0.03 0.29 -1.58 -1.57 0.00 0.00 175.55 172.60 1nwz s TRP 119 N 0.01 3.61 -0.22 2.71 0.52 0.36 -0.10 118.94 125.82 1nwz s TRP 119 Ca 0.00 0.67 0.02 0.00 0.02 0.00 0.00 56.10 56.81 1nwz s TRP 119 Cb -0.04 -2.06 0.05 0.00 -1.15 0.00 0.00 33.47 30.27 1nwz s TRP 119 CO -0.00 0.63 -0.10 0.08 0.02 0.00 0.00 176.95 177.57 1nwz s VAL 120 N -1.23 1.83 -0.02 4.03 1.01 0.48 -1.17 120.40 125.31 1nwz s VAL 120 Ca 0.26 -1.25 -0.00 0.00 0.00 0.00 0.00 61.98 60.99 1nwz s VAL 120 Cb -0.14 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1nwz s VAL 120 CO 0.14 0.08 0.03 -0.36 0.00 0.00 0.00 175.10 175.00 1nwz s PHE 121 N 1.29 3.18 -0.02 5.22 0.40 0.52 -0.66 117.98 127.91 1nwz s PHE 121 Ca -0.04 0.16 -0.01 0.00 -0.60 0.00 0.00 56.93 56.44 1nwz s PHE 121 Cb -0.18 -1.73 0.01 0.00 0.51 0.00 0.00 43.02 41.64 1nwz s PHE 121 CO -0.07 0.50 0.05 0.08 0.70 0.00 0.00 175.22 176.48 1nwz s VAL 122 N -1.08 -0.02 0.07 -0.44 1.01 -0.15 -0.46 120.40 119.32 1nwz s VAL 122 Ca 0.19 0.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.23 1nwz s VAL 122 Cb -0.12 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 1nwz s VAL 122 CO 0.10 0.03 -0.02 -1.59 0.00 0.00 0.00 175.10 173.62 1nwz s LYS 123 N 0.40 0.68 0.52 2.72 -2.85 -0.44 -0.29 119.74 120.48 1nwz s LYS 123 Ca -0.03 -1.27 -0.20 0.00 -1.00 0.00 0.00 55.97 53.47 1nwz s LYS 123 Cb -0.05 0.19 -0.07 0.00 -2.06 0.00 0.00 37.83 35.85 1nwz s LYS 123 CO -0.01 -0.13 1.08 1.03 0.10 0.00 0.00 175.35 177.41 1nwz s ARG 124 N -3.94 3.56 0.00 1.78 0.52 -1.26 -0.48 118.95 119.12 1nwz s ARG 124 Ca 0.11 1.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.79 1nwz s ARG 124 Cb 0.08 -2.05 0.00 0.00 0.52 0.00 0.00 34.95 33.50 1nwz s ARG 124 CO -0.07 -0.65 0.25 1.33 0.02 0.00 0.00 175.30 176.17